N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-iodanyl-5-nitro-benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-iodanyl-5-nitro-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-iodo-5-nitro-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-iodo-5-nitrobenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodo-5-nitrobenzamide Traditional Name: 2-iodo-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-nitro-benzamide Formula: C18H15IN4O4 MolecularWeight: 478.24057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])I

InChI

InChI=1S/C18H15IN4O4/c1-11-16(18(25)22(21(11)2)12-6-4-3-5-7-12)20-17(24)14-10-13(23(26)27)8-9-15(14)19/h3-10H,1-2H3,(H,20,24)